(2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol

C17H34O2Si — CID 102434144

IUPAC(2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol
SMILESCC[Si](CC)(CC)O[C@](C)(/C=C/CO)CCC=C(C)C
InChIInChI=1S/C17H34O2Si/c1-7-20(8-2,9-3)19-17(6,14-11-15-18)13-10-12-16(4)5/h11-12,14,18H,7-10,13,15H2,1-6H3/b14-11+/t17-/m0/s1
InChIKeyPIVXAIJYUITANP-WKOYGUFESA-N
MW298.54 g/mol
LogP5.06
Rot. Bonds10

About (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol

(2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol (PubChem CID 102434144) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol.

Molecular Properties

Compound Name(2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol
PubChem CID102434144
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol
SMILESCC[Si](CC)(CC)O[C@](C)(/C=C/CO)CCC=C(C)C
InChIInChI=1S/C17H34O2Si/c1-7-20(8-2,9-3)19-17(6,14-11-15-18)13-10-12-16(4)5/h11-12,14,18H,7-10,13,15H2,1-6H3/b14-11+/t17-/m0/s1
InChIKeyPIVXAIJYUITANP-WKOYGUFESA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol?
The IUPAC name of (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol (CID 102434144) is (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol.
What is the SMILES notation for (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol?
The canonical SMILES for (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol is CC[Si](CC)(CC)O[C@](C)(/C=C/CO)CCC=C(C)C.
What is the InChIKey of (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol?
The InChIKey is PIVXAIJYUITANP-WKOYGUFESA-N. The full InChI is InChI=1S/C17H34O2Si/c1-7-20(8-2,9-3)19-17(6,14-11-15-18)13-10-12-16(4)5/h11-12,14,18H,7-10,13,15H2,1-6H3/b14-11+/t17-/m0/s1.
What are the key properties of (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol?
(2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol has a molecular weight of 298.54 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S)-4,8-dimethyl-4-triethylsilyloxynona-2,7-dien-1-ol is sourced from PubChem (CID 102434144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).